2VMF
Structural and biochemical evidence for a boat-like transition state in beta-mannosidases
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2007-03-17 |
Detector | ADSC CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 91.051, 114.663, 99.090 |
Unit cell angles | 90.00, 113.19, 90.00 |
Refinement procedure
Resolution | 37.450 - 2.100 |
R-factor | 0.167 |
Rwork | 0.164 |
R-free | 0.22300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2je8 |
RMSD bond length | 0.018 |
RMSD bond angle | 1.757 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC (5.4.0062) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.600 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.120 | 0.510 |
Number of reflections | 108927 | |
<I/σ(I)> | 11.3 | 2.9 |
Completeness [%] | 99.9 | 100 |
Redundancy | 3.6 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 16% PEG 3350, 0.2M NABR, 0.1M MES BUFFER PH 6.5 |